4-{[1-benzyl-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[1-benzyl-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[1-benzyl-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4031-2358 |
| Compound Name: | 4-{[1-benzyl-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C22 H19 N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1Cc1ccccc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6939 |
| logD: | 0.0871 |
| logSw: | -3.9951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.519 |
| InChI Key: | VSFQSWMIMIFWPZ-UHFFFAOYSA-N |